The reaction between the nickel(II) PCP pincer fluoride complex (tBuPCP)Ni(F) and the tungsten(II) carbonyl hydride CpW(H)(CO)3 leads to hydrogen fluoride formation, along with the bimetallic compound [CpW(CO)2(μ-κ,C:κ,O-CO) Ni(tBuPCP)]. The fluoride−hydride interaction is not direct but water-mediated, different from that found for the related hydride−hydride pair. The process has been studied through multinuclear 19F, 31P, and 1H NMR spectroscopy combined with density functional theory calculations, at the M06//6-31+G(d,p) level of theory.

Interaction between a Transition-Metal Fluoride and a Transition-Metal Hydride: Water-Mediated Hydrofluoric Acid Evolution Following Fluoride Solvation

CHIEROTTI, Michele Remo;GOBETTO, Roberto;
2013-01-01

Abstract

The reaction between the nickel(II) PCP pincer fluoride complex (tBuPCP)Ni(F) and the tungsten(II) carbonyl hydride CpW(H)(CO)3 leads to hydrogen fluoride formation, along with the bimetallic compound [CpW(CO)2(μ-κ,C:κ,O-CO) Ni(tBuPCP)]. The fluoride−hydride interaction is not direct but water-mediated, different from that found for the related hydride−hydride pair. The process has been studied through multinuclear 19F, 31P, and 1H NMR spectroscopy combined with density functional theory calculations, at the M06//6-31+G(d,p) level of theory.
52
21
12616
12623
http://pubs.acs.org/doi/abs/10.1021/ic401798b
Michele R. Chierotti;Andrea Rossin;Roberto Gobetto;Maurizio Peruzzini
File in questo prodotto:
File Dimensione Formato  
inorg chem2013,52,12616–completo.pdf

Accesso riservato

Tipo di file: PDF EDITORIALE
Dimensione 2.7 MB
Formato Adobe PDF
2.7 MB Adobe PDF   Visualizza/Apri   Richiedi una copia
NiF_HW_open access.pdf

Open Access dal 14/10/2017

Tipo di file: POSTPRINT (VERSIONE FINALE DELL’AUTORE)
Dimensione 1.13 MB
Formato Adobe PDF
1.13 MB Adobe PDF Visualizza/Apri

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2318/141230
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 11
  • ???jsp.display-item.citation.isi??? 11
social impact